3-(3-chlorophenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one

Systemtic Name: 3-(3-chlorophenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Openeye Name: 3-(3-chlorophenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one CAS Name: 3-(3-chlorophenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]-4-quinazolinone IUPAC Name: 3-(3-chlorophenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Traditional Name: 3-(3-chlorophenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Formula: C22H18ClN7O MolecularWeight: 431.87762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC(=CC=C3)Cl)C(C)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC(=CC=C3)Cl)C(C)NC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H18ClN7O/c1-12-5-3-8-16-17(12)22(31)30(15-7-4-6-14(23)9-15)21(29-16)13(2)28-20-18-19(25-10-24-18)26-11-27-20/h3-11,13H,1-2H3,(H2,24,25,26,27,28)